2-ethylbutanoic acid

C6H12O2 — CID 6915

IUPAC2-ethylbutanoic acid
SMILESCCC(CC)C(=O)O
InChIInChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyOXQGTIUCKGYOAA-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.51
Rot. Bonds3

About 2-ethylbutanoic acid

2-ethylbutanoic acid (PubChem CID 6915) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-ethylbutanoic acid.

Molecular Properties

Compound Name2-ethylbutanoic acid
PubChem CID6915
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-ethylbutanoic acid
SMILESCCC(CC)C(=O)O
InChIInChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyOXQGTIUCKGYOAA-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbutanoic acid?
The IUPAC name of 2-ethylbutanoic acid (CID 6915) is 2-ethylbutanoic acid.
What is the SMILES notation for 2-ethylbutanoic acid?
The canonical SMILES for 2-ethylbutanoic acid is CCC(CC)C(=O)O.
What is the InChIKey of 2-ethylbutanoic acid?
The InChIKey is OXQGTIUCKGYOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-ethylbutanoic acid?
2-ethylbutanoic acid has a molecular weight of 116.16 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutanoic acid is sourced from PubChem (CID 6915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).